CAS RN: 71170-88-2

1-CBZ-2-PIPERIDINECARBOXYLIC ACID

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5 package records3 with current stock2 grade groups
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Batchno.20250222 5g / 25g / 100g Out of stock 5-7 business days Inquiry
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Batchno.20250325 100g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
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Batchno.20260214 5g In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
  • Product code: starshine_CAS71170-88-2
  • Purity/Analytical Methods: >99.0%
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71170-88-2 / (2R)-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid

Standard CAS: 71170-88-2 Multi CAS: Yes

Basic Information

CAS
71170-88-2
Multi CAS
Yes
Molecular Formula
C14H17NO4
Molecular Weight
263.290000
Exact Mass
263.115758
InChI
InChI=1S/C14H17NO4/c16-13(17)12-8-4-5-9-15(12)14(18)19-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H,16,17)
InChIKey
ZSAIHAKADPJIGN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
68.61
TPSA
66.84

LogP / Solubility

WLOGP
2.26
MLOGP
2
XLogP3
2.1
Consensus LogP
2.12
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.61
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.72

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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